Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Coumarin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 12/20 | 0.69 |
| ▸ | CA12 | O43570 | 11/20 | 0.69 |
| ▸ | CA1 | P00915 | 4/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | CA3 | P07451 | 3/20 | 0.69 |
| ▸ | CA4 | P22748 | 3/20 | 0.69 |
| ▸ | CA5A | P35218 | 3/20 | 0.69 |
| ▸ | CA7 | P43166 | 3/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.69 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.69 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.69 |
| ▸ | CA6 | P23280 | 2/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | PGR | P06401 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Coumarin SCHEMBL314829 | 0.95 | CA9 (0.77) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL27598031 | 0.89 | CA9 (0.80) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL28058711 | 0.89 | CA12 (0.87) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL1090505 | 0.87 | CA12 (0.83) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL25431834 | 0.87 | CA12 (0.91) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL11101317 | 0.85 | CA12 (0.87) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL19183240 | 0.85 | CA12 (0.95) | CA9CA12CA1TDP1CA3 | |
| SCHEMBL7358531 | 0.85 | CA12 (0.95) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL27373119 | 0.85 | CA9 (0.67) | CA9CA12CA1TDP1CA3 | |
| Coumarin SCHEMBL27601322 | 0.84 | CA9 (0.71) | CA9CA12CA1TDP1CA3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105378175-A | Manufacturing method of anti-ultraviolet nylon textile and textile | TORAY FIBERS & TEXTILES RES LABORATORIES (CHINA) CO LTD | 2016-03-02 | — | — | CN | disclosed |